N4-propyl-N4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N4-propyl-N4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,4-disulfonamide Openeye Name: N4-propyl-N4-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-disulfonamide CAS Name: N4-propyl-N4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-propyl-4-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,4-disulfonamide Traditional Name: N'-propyl-N'-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]benzene-1,4-disulfonamide Formula: C16H18N4O5S3 MolecularWeight: 442.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NN=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCN(CC1=NN=C(O1)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H18N4O5S3/c1-2-9-20(11-15-18-19-16(25-15)14-4-3-10-26-14)28(23,24)13-7-5-12(6-8-13)27(17,21)22/h3-8,10H,2,9,11H2,1H3,(H2,17,21,22)